COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524542
Chemical Name: {[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}(phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

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Molecular Weight: 536.67
Empirical Formula: C31H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.87
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 125
Number of rings: 5

     

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